Papers:
Applications of the Structural Comparison Algorithm for Simulated Annealing Optimizations and Stochastic Simulations
The use of a structural comparison algorithm as a potential energy surface attractor map is introduced. The numerical procedure determines if two structures of a Xn and Xn-YZ species are identical from the respective Cartesian [...]
Model of Photovoltage Response of Bacteriorhodopsin in PVA Films
Frydrych M., Lensu L., Aschi C., Parkkinen J., Parkkinen S., Parkkinen J., Parkkinen S., Jaaskelainen T., Lappeenranta University of Technology, FI
Bacteriorhodopsin (BR) is a light-transducing protein contained in a purple membrane of microorganism Halobacterium salinarium. Natural function of BR is to act as a light-driven proton pump in energy balancing mechanism of the bacterium. Numerous [...]
Stochastic Simulations of Cell-Cell Signalling in Hepatocytes
We present results of a Monte Carlo simulation of stochastic effects for two models of intercellular calcium wave propagation in rat hepatocytes. Both models involve gap junction diffusion by a second messenger. In general taking [...]
Molecular Dynamics Studies on Folic Acid and Fluorescein-Derivatized PAMAM Dendrimers
Molecular dynamics simulations on PAMAM dendrimers were performed to design and optimize the condition for cancer cell targeting and imaging. Folic acid and fluorescein-conjugated dendrimers with a primary amine surface group (without capping) and with [...]
Towards Color Sensitivity of Protein Based Artificial Retina
Lensu L., Frydrych M., Aschi C., Parkkinen J., Parkkinen S., Parkkinen J., Parkkinen S., Jaaskelainen T., Lappeenranta Univeristy of Technology, FI
Bacteriorhodopsin (BR) has been studied as a material for molecular electronics applications. Thin film elements based on BR and its variants in polyvinylalcohol (PVA) have been produced to determine the photoelectrical properties of the material [...]
The Photocycle Movie of Photoactive Yellow Protein from Nanoseconds to Seconds
Ren Z., Perman B., Srajer V., Teng T.-Y., Pradervand C., Bourgeois D., Schotte F., Ursby T., Kort R., Wulff M., Moffat K., University of Chicago, US
Photoactive yellow protein (PYP; Meyer, 1985; Meyer et al., 1987) from the photoautotrophic purple eubacterium Ectothiorhodospira halophila is a 14-kD, water-soluble, cytoplasmic blue-light receptor, in which a 4-hydroxycinnamic acid chromophore is covalently linked by a [...]
Structure Based Design of Protein Ligands: A Study of Antibody-like Scaffolds Targeted Against the Anthrax Toxin
Shiflett P., Hong-Geller E., Allen D., Lauer S., Lehnert B., Lehnert N., Nolan J., Lehnert B., Lehnert N., Gupta G., Los Alamos National Laboratories, US
We have adopted structure-based approaches to enhance the affinities of two single chain antibodies, scFv1 and scFv4, that bind to two different epitopes on the Protective Antigen (PA), a toxin from Bacillus anthracis. In one [...]
Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology
Published: March 19, 2001
Industry sector: Medical & Biotech
Topics: Biomaterials, Informatics, Modeling & Simulation
ISBN: 0-9708275-3-9